2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

C19H29ClN4O2 — CID 8540438

IUPAC2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CN(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-15(2)21-18(25)13-23-8-10-24(11-9-23)19(26)14-22(3)12-16-4-6-17(20)7-5-16/h4-7,15H,8-14H2,1-3H3,(H,21,25)
InChIKeyGYQCFJPPZLCFFM-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.44
Rot. Bonds7

About 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 8540438) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID8540438
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)CN(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-15(2)21-18(25)13-23-8-10-24(11-9-23)19(26)14-22(3)12-16-4-6-17(20)7-5-16/h4-7,15H,8-14H2,1-3H3,(H,21,25)
InChIKeyGYQCFJPPZLCFFM-UHFFFAOYSA-N
XLogP1.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105
4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094199
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 119833921
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-[1-(4-chlorophenyl)ethyl]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 42914266
N-[1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 86993679
2-[4-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8598532
4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 57374023
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 8540438) is 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)CN(C)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is GYQCFJPPZLCFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-15(2)21-18(25)13-23-8-10-24(11-9-23)19(26)14-22(3)12-16-4-6-17(20)7-5-16/h4-7,15H,8-14H2,1-3H3,(H,21,25).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 380.92 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 8540438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).